SCHEMBL6202771

SCHEMBL6202771

O=C(c1ccccc1)C(Cc1ccc(Cl)cc1Cl)n1cncn1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAPT P10636 1/20 0.45
HDAC8 Q9BY41 5/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PDPK1 O15530 1/20 0.40
CYP19A1 P11511 6/20 0.40
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10468609 0.93 KMT2A (0.56) KMT2AMEN1TDP1MAPTHDAC8
SCHEMBL6318387 0.81 MEN1 (0.51) KMT2AMEN1TDP1MAPTHDAC8
SCHEMBL9825954 0.81 MEN1 (0.46) KMT2AMEN1TDP1MAPTHDAC8
SCHEMBL6202493 0.81 MAPT (0.60) KMT2AMEN1MAPTHDAC8CYP19A1
SCHEMBL10355375 0.81 MEN1 (0.64) KMT2AMEN1TDP1MAPTCYP19A1
SCHEMBL6201563 0.80 PPARG (0.43) KMT2AMEN1TDP1MAPTCYP19A1
SCHEMBL6202608 0.79 MAPT (0.67) KMT2AMEN1TDP1MAPTHDAC8
SCHEMBL10470915 0.78 CYP19A1 (0.50) KMT2AMEN1TDP1CYP19A1LMNA
SCHEMBL11534459 0.77 MEN1 (0.56) KMT2AMEN1TDP1HDAC8CYP19A1
SCHEMBL10731153 0.77 MEN1 (0.59) KMT2AMEN1TDP1MAPTHDAC8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed